EcoDrugPlus


Synonyms	Hexaminolevulinate
Status
Molecule Category	Free-form
ATC	V04CX06
UNII	G7H20TKI67
EPA CompTox	DTXSID40161487

Synonyms

Hexaminolevulinate

Status

Molecule Category

Free-form

ATC

V04CX06

UNII

G7H20TKI67

EPA CompTox

DTXSID40161487


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	RYQOILLJDKPETL-UHFFFAOYSA-N
Smiles	CCCCCCOC(=O)CCC(=O)CN
InChI	InChI=1S/C11H21NO3/c1-2-3-4-5-8-15-11(14)7-6-10(13)9-12/h2-9,12H2,1H3

InChI Key

RYQOILLJDKPETL-UHFFFAOYSA-N

Smiles

CCCCCCOC(=O)CCC(=O)CN

InChI

InChI=1S/C11H21NO3/c1-2-3-4-5-8-15-11(14)7-6-10(13)9-12/h2-9,12H2,1H3

Property Name	Value
Molecular Formula	C11H21NO3
Molecular Weight	215.29
AlogP	1.42
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	9.0
Polar Surface Area	69.39
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C11H21NO3

Molecular Weight

215.29

AlogP

1.42

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

9.0

Polar Surface Area

69.39

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

15.0

Resources	Reference
ChEBI	134892
ChEMBL	CHEMBL1201784
DrugBank	DB06261
DrugCentral	167
FDA SRS	G7H20TKI67
PubChem	6433083
SureChEMBL	SCHEMBL1070663
ZINC	ZINC000001554392

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

PubChem

SureChEMBL

ZINC


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

HEXAMINOLEVULINATE

Structure

Physicochemical Descriptors

Cross References